6-[5,6-difluoro-4-(4-methoxypiperidin-1-yl)-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid

C29H27F2N5O4 — CID 159939871

About 6-[5,6-difluoro-4-(4-methoxypiperidin-1-yl)-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid

6-[5,6-difluoro-4-(4-methoxypiperidin-1-yl)-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 159939871) has the molecular formula C29H27F2N5O4 and a molecular weight of 547.56 g/mol. Its IUPAC name is 6-[5,6-difluoro-4-(4-methoxypiperidin-1-yl)-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 6-[5,6-difluoro-4-(4-methoxypiperidin-1-yl)-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 159939871
• Molecular Formula: C29H27F2N5O4
• Molecular Weight: 547.56 g/mol
• Exact Mass: 547.20
• IUPAC Name: 6-[5,6-difluoro-4-(4-methoxypiperidin-1-yl)-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
• SMILES: CNc1cc(F)c(F)c2c1Cc1ncc(-c3cnc4c(c3)c(=O)c(C(=O)O)cn4C)c(N3CCC(OC)CC3)c1-2
• InChI: InChI=1S/C29H27F2N5O4/c1-32-21-10-20(30)25(31)23-16(21)9-22-24(23)26(36-6-4-15(40-3)5-7-36)18(12-33-22)14-8-17-27(37)19(29(38)39)13-35(2)28(17)34-11-14/h8,10-13,15,32H,4-7,9H2,1-3H3,(H,38,39)
• InChIKey: OASWKOPZFOFIKO-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 109.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.56
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[5,6-difluoro-4-(4-methoxypiperidin-1-yl)-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The IUPAC name of 6-[5,6-difluoro-4-(4-methoxypiperidin-1-yl)-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 159939871) is 6-[5,6-difluoro-4-(4-methoxypiperidin-1-yl)-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid.

What is the SMILES notation for 6-[5,6-difluoro-4-(4-methoxypiperidin-1-yl)-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The canonical SMILES for 6-[5,6-difluoro-4-(4-methoxypiperidin-1-yl)-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid is CNc1cc(F)c(F)c2c1Cc1ncc(-c3cnc4c(c3)c(=O)c(C(=O)O)cn4C)c(N3CCC(OC)CC3)c1-2.

What is the InChIKey of 6-[5,6-difluoro-4-(4-methoxypiperidin-1-yl)-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The InChIKey is OASWKOPZFOFIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F2N5O4/c1-32-21-10-20(30)25(31)23-16(21)9-22-24(23)26(36-6-4-15(40-3)5-7-36)18(12-33-22)14-8-17-27(37)19(29(38)39)13-35(2)28(17)34-11-14/h8,10-13,15,32H,4-7,9H2,1-3H3,(H,38,39).

What are the key properties of 6-[5,6-difluoro-4-(4-methoxypiperidin-1-yl)-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid?

6-[5,6-difluoro-4-(4-methoxypiperidin-1-yl)-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 547.56 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5,6-difluoro-4-(4-methoxypiperidin-1-yl)-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 159939871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).